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Name | CHEMBL184407 |
---|---|
Molecular formula | C24H27N3O6S3 |
IUPAC name | [3-[(2R)-2-[[(2R)-2-hydroxy-2-[3-(thiophen-2-ylsulfonylamino)phenyl]ethyl]amino]propyl]-1H-indol-7-yl] methanesulfonate |
Molecular weight | 549.675 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 4 |
XlogP | 3.2 |
Synonyms | BDBM50156260 Methanesulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[3-(thiophene-2-sulfonylamino)-phenyl]-ethylamino}-propyl)-1H-indol-7-yl ester |
Inchi Key | ATOBZBFTPJRCNY-IERDGZPVSA-N |
Inchi ID | InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1 |
PubChem CID | 11432806 |
ChEMBL | CHEMBL184407 |
IUPHAR | N/A |
BindingDB | 50156260 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
14149 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
14148 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
14147 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
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